| CAS Number | 926191-54-0 |
| Catalog Number | AG019LK9 |
| Chemical Name | 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid |
| IUPAC Name | 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C11H14FNO4S/c1-7(2)13(3)18(16,17)8-4-5-10(12)9(6-8)11(14)15/h4-7H,1-3H3,(H,14,15) |
| InChI Key | QMNPHSRUPNIRLX-UHFFFAOYSA-N |
| MDL Number | MFCD00092890 |
| Molecular Formula | C11H14FNO4S |
| Molecular Weight | 275.2966 |
| SMILES | FC1=C(C(=O)O)C=C(C=C1)S(N(C)C(C)C)(=O)=O |
| Synonyms | 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid,
926191-54-0,
2-fluoro-5-{[isopropyl(methyl)amino]sulfonyl}benzoic acid,
AC1Q1PX7,
CTK6A9377,
ZINC12899553,
AKOS000123463,
MCULE-4684968130,
NE43480,
EN300-31543,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.294g/mol |
| Monoisotopic Mass | 275.063g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number